CID 10971025

Perfluorohexylsulfinic acid

Structural Information

Molecular Formula
C6HF13O2S
SMILES
C(C(C(C(F)(F)S(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF13O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)22(20)21/h(H,20,21)
InChIKey
IYYLVCKNCOIEJX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

36
Patents

383.94897 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.95625 162.1
[M+Na]+ 406.93819 170.5
[M-H]- 382.94169 146.5
[M+NH4]+ 401.98279 172.1
[M+K]+ 422.91213 167.2
[M+H-H2O]+ 366.94623 148.4
[M+HCOO]- 428.94717 156.7
[M+CH3COO]- 442.96282 212.5
[M+Na-2H]- 404.92364 163.4
[M]+ 383.94842 143.5
[M]- 383.94952 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe